UCSF

ZINC45950674

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 6.18 -7.11 1 3 0 32 206.289 4
Lo Low (pH 4.5-6) 2.61 6.55 -39.91 2 3 1 34 207.297 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )